2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid

C19H21NO5 — CID 53264150

IUPAC2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid
SMILESCOc1cccc(OC(C)C(=O)NC(Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C19H21NO5/c1-13(25-16-10-6-9-15(12-16)24-2)18(21)20-17(19(22)23)11-14-7-4-3-5-8-14/h3-10,12-13,17H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyNPHZFGPMAFXIBD-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.27
Rot. Bonds8

About 2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid

2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid (PubChem CID 53264150) has the molecular formula C19H21NO5 and a molecular weight of 343.38 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid.

Molecular Properties

Compound Name2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid
PubChem CID53264150
Molecular FormulaC19H21NO5
Molecular Weight343.38 g/mol
Exact Mass343.14
IUPAC Name2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid
SMILESCOc1cccc(OC(C)C(=O)NC(Cc2ccccc2)C(=O)O)c1
InChIInChI=1S/C19H21NO5/c1-13(25-16-10-6-9-15(12-16)24-2)18(21)20-17(19(22)23)11-14-7-4-3-5-8-14/h3-10,12-13,17H,11H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyNPHZFGPMAFXIBD-UHFFFAOYSA-N
XLogP2.27
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(3-methoxyphenoxy)propanoylamino]propanoic acid
CID 53264145
2-(3-methoxyphenoxy)-N-(2-phenylethyl)propanamide
CID 19203903
2-(3-methoxyphenoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 133144163
(2S)-2-(3-methoxyphenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 28574627
(2R)-2-(3-methoxyphenoxy)-3-phenylpropanoic acid
CID 100524279
(2S)-2-(3-methoxyphenoxy)-N-[(2S)-pentan-2-yl]propanamide
CID 99953946
(2S)-2-[(4-methoxybenzoyl)amino]-3-phenylpropanoic acid
CID 919358
2-(2-methylpropanoylamino)-3-phenylpropanoic acid
CID 11118012
2-[2-(2,4-dichlorophenoxy)propanoylamino]-3-phenylpropanoic acid
CID 3454202
(2S)-2-[2-[(3-methoxyphenyl)methoxy]propanoylamino]-4-methylpentanoic acid
CID 119361787
2-[(3,5-dimethoxyphenyl)carbamoylamino]-3-phenylpropanoic acid
CID 5126450
3-[[(1R)-1-carboxy-2-phenylethyl]amino]-2-methyl-3-oxopropanoic acid
CID 122065103

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid?
The IUPAC name of 2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid (CID 53264150) is 2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid.
What is the SMILES notation for 2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid?
The canonical SMILES for 2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid is COc1cccc(OC(C)C(=O)NC(Cc2ccccc2)C(=O)O)c1.
What is the InChIKey of 2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid?
The InChIKey is NPHZFGPMAFXIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO5/c1-13(25-16-10-6-9-15(12-16)24-2)18(21)20-17(19(22)23)11-14-7-4-3-5-8-14/h3-10,12-13,17H,11H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid?
2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid has a molecular weight of 343.38 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenoxy)propanoylamino]-3-phenylpropanoic acid is sourced from PubChem (CID 53264150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).